NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9880 8.2133 109.7395 45.2774 0.0000 174.9639 4 S 3.9941 8.5966 119.5916 60.4511 62.8317 175.4519 5 R 3.9663 7.8127 121.4287 59.4386 30.4273 178.5296 6 V 3.7308 7.7928 118.5756 65.0295 31.4568 178.3138 7 T 3.8564 7.9475 116.2695 66.4259 68.2956 176.1868 8 F 4.2055 8.8891 122.9324 61.5373 39.3743 177.0931 9 E 3.5870 8.2316 118.1365 59.2111 29.2492 179.5427 10 R 3.8893 7.9798 118.2717 59.0770 30.1299 179.2552 11 V 3.5214 8.1219 118.5926 65.7429 31.5994 177.5627 12 E 3.7383 7.8687 119.1161 59.5089 29.4105 178.9523 13 Q 3.9568 7.8291 117.7404 59.0629 28.6312 178.5800 14 M 4.0507 8.1341 120.0673 58.4747 32.0300 178.9932 15 S 3.9760 8.4941 114.7014 61.3461 63.0476 176.7097 16 I 3.6819 7.6727 123.2989 64.3349 36.8881 178.4212 17 Q 4.1319 8.1385 118.8799 58.8553 28.5407 178.4446 18 I 3.6450 8.4047 121.5472 64.4929 37.1256 177.9895 19 K 3.8645 7.9368 119.9534 59.8761 31.9865 178.5031 20 E 3.9564 8.1770 118.5641 59.3577 29.2796 179.6846 21 V 3.7097 7.8994 118.5125 65.7485 31.6156 178.3223 22 G 3.6380 8.1958 105.5086 47.9375 0.0000 175.3665 23 D 4.4586 8.4333 121.9385 57.2586 40.9201 179.1924 24 R 4.0488 8.1021 118.5567 59.0380 29.9810 179.0637 25 V 3.6257 8.2885 118.5801 66.4399 31.5016 177.9151 26 N 4.3198 8.2261 115.8542 56.4058 38.2773 177.0583 27 Y 3.7547 8.2680 118.2271 61.1146 38.0352 178.6813 28 I 3.7835 8.0322 120.7242 64.0625 37.1895 178.3089 29 K 3.8900 8.2347 120.5580 59.7162 32.0710 178.8819 30 R 4.0749 7.8824 118.1734 59.5371 29.9817 179.1924 31 S 4.1713 8.1460 114.7750 61.6028 62.7645 176.7749 32 L 4.0174 8.0604 121.6027 57.8692 41.3426 179.5632 33 Q 3.9613 8.1630 117.9307 59.2247 28.6777 179.1946 34 S 4.1669 8.1879 116.1219 61.2371 62.7230 176.5129 35 L 3.9296 8.0188 123.2287 58.1462 41.8664 178.2777 36 D 4.3145 8.7351 118.4380 57.7341 41.0693 178.4286 37 S 4.0789 8.0158 113.3581 61.1223 62.4514 175.8530 38 Q 4.0683 8.1227 122.5686 59.0212 28.8067 178.0647 39 I 3.8735 8.2709 121.5976 64.0118 37.0687 178.5330 40 G 3.5971 8.1312 106.7960 48.1945 0.0000 175.3584 41 H 4.2613 8.0082 118.7999 58.5631 28.6491 177.7115 42 L 4.0040 7.8565 121.8974 58.1508 41.8856 178.9248 43 Q 4.0287 8.6363 118.4639 59.0649 28.5559 178.5203 44 D 4.3512 8.1769 119.9064 57.2746 40.7845 178.7168 45 L 3.9588 7.8594 121.0379 58.1500 42.0646 179.1705 46 S 4.0973 8.5497 114.5435 61.2584 62.8926 176.3235 47 A 3.9400 8.1408 124.5139 54.7710 18.2028 179.2347 48 L 3.8742 8.0894 118.9650 58.6532 42.1516 179.2493 49 T 3.8348 8.0627 115.6768 66.7904 68.4367 176.7605 50 V 3.5931 8.0453 120.2845 65.8697 31.2891 177.6100 51 D 4.2716 7.8026 116.8656 57.6631 41.3857 177.7688 52 T 4.0247 7.7693 116.1555 66.9508 68.2995 176.5327 53 L 4.0214 7.7576 118.9985 57.3626 41.5987 179.3086 54 K 4.0951 7.7789 118.0581 58.9208 32.0244 176.9381 55 T 4.1727 7.8241 113.1364 61.6531 68.9864 174.3215 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.60 3.99 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.81 3.97 0.00 1.93 1.95 0.00 3.31 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 6 V 7.79 3.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 7 T 7.95 3.86 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 F 8.89 4.21 0.00 3.01 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.23 3.59 0.00 2.26 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 10 R 7.98 3.89 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 11 V 8.12 3.52 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 12 E 7.87 3.74 0.00 1.44 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 13 Q 7.83 3.96 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 14 M 8.13 4.05 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 15 S 8.49 3.98 0.00 3.98 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.67 3.68 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.90 0.00 0.00 17 Q 8.14 4.13 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 18 I 8.40 3.65 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.91 0.00 0.00 19 K 7.94 3.86 0.00 1.89 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 20 E 8.18 3.96 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 21 V 7.90 3.71 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 22 G 8.20 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.43 4.46 0.00 2.75 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.10 4.05 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 25 V 8.29 3.63 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 26 N 8.23 4.32 0.00 2.94 2.75 0.00 0.00 7.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.27 3.75 0.00 3.29 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.03 3.78 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 0.93 0.00 0.00 29 K 8.23 3.89 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 30 R 7.88 4.07 0.00 1.97 1.91 0.00 3.52 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 31 S 8.15 4.17 0.00 4.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.06 4.02 0.00 1.84 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.16 3.96 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 34 S 8.19 4.17 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.02 3.93 0.00 1.86 1.89 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.74 4.31 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.02 4.08 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.12 4.07 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 39 I 8.27 3.87 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.91 0.00 0.00 40 G 8.13 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.01 4.26 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.86 4.00 0.00 1.81 1.81 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.64 4.03 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 44 D 8.18 4.35 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.86 3.96 0.00 1.79 1.87 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.55 4.10 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.14 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.09 3.87 0.00 1.86 1.87 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.06 3.83 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 V 8.05 3.59 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 51 D 7.80 4.27 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.77 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 L 7.76 4.02 0.00 1.87 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.78 4.10 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 55 T 7.82 4.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00